(2S)-2-[(2S)-2-methylbutoxy]propanoic acid

C8H16O3 — CID 150908774

IUPAC(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
SMILESCC[C@H](C)CO[C@@H](C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-6(2)5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyLBNYFSDPGLGKEU-BQBZGAKWSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-[(2S)-2-methylbutoxy]propanoic acid

(2S)-2-[(2S)-2-methylbutoxy]propanoic acid (PubChem CID 150908774) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-methylbutoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
PubChem CID150908774
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
SMILESCC[C@H](C)CO[C@@H](C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-6(2)5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyLBNYFSDPGLGKEU-BQBZGAKWSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-ethoxypropanoic acid;methane
CID 160636954
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
2-methyl-1-pentan-3-yloxybutane
CID 23377308
2-[3-bromo-2-(bromomethyl)propoxy]propanoic acid
CID 58644977
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
4-[1-(2-methylbutoxy)ethyl]benzoic acid
CID 14473442
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
carbonic acid;3-methylpentane
CID 173481374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-methylbutoxy]propanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-methylbutoxy]propanoic acid (CID 150908774) is (2S)-2-[(2S)-2-methylbutoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-methylbutoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-methylbutoxy]propanoic acid is CC[C@H](C)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2S)-2-methylbutoxy]propanoic acid?
The InChIKey is LBNYFSDPGLGKEU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6(2)5-11-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-methylbutoxy]propanoic acid?
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-methylbutoxy]propanoic acid is sourced from PubChem (CID 150908774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).